5-[[6-methoxy-2-propan-2-yl-5-(trifluoromethylsulfanyl)-3-pyridinyl]oxy]-2-methylpyrimidin-4-amine

C15H17F3N4O2S — CID 145374312

IUPAC5-[[6-methoxy-2-propan-2-yl-5-(trifluoromethylsulfanyl)-3-pyridinyl]oxy]-2-methylpyrimidin-4-amine
SMILESCOc1nc(C(C)C)c(Oc2cnc(C)nc2N)cc1SC(F)(F)F
InChIInChI=1S/C15H17F3N4O2S/c1-7(2)12-9(24-10-6-20-8(3)21-13(10)19)5-11(14(22-12)23-4)25-15(16,17)18/h5-7H,1-4H3,(H2,19,20,21)
InChIKeyVRRSZZNKDZKXPO-UHFFFAOYSA-N
MW374.39 g/mol
LogP4.30
Rot. Bonds5

About 5-[[6-methoxy-2-propan-2-yl-5-(trifluoromethylsulfanyl)-3-pyridinyl]oxy]-2-methylpyrimidin-4-amine

5-[[6-methoxy-2-propan-2-yl-5-(trifluoromethylsulfanyl)-3-pyridinyl]oxy]-2-methylpyrimidin-4-amine (PubChem CID 145374312) has the molecular formula C15H17F3N4O2S and a molecular weight of 374.39 g/mol. Its IUPAC name is 5-[[6-methoxy-2-propan-2-yl-5-(trifluoromethylsulfanyl)-3-pyridinyl]oxy]-2-methylpyrimidin-4-amine.

Molecular Properties

Compound Name5-[[6-methoxy-2-propan-2-yl-5-(trifluoromethylsulfanyl)-3-pyridinyl]oxy]-2-methylpyrimidin-4-amine
PubChem CID145374312
Molecular FormulaC15H17F3N4O2S
Molecular Weight374.39 g/mol
Exact Mass374.10
IUPAC Name5-[[6-methoxy-2-propan-2-yl-5-(trifluoromethylsulfanyl)-3-pyridinyl]oxy]-2-methylpyrimidin-4-amine
SMILESCOc1nc(C(C)C)c(Oc2cnc(C)nc2N)cc1SC(F)(F)F
InChIInChI=1S/C15H17F3N4O2S/c1-7(2)12-9(24-10-6-20-8(3)21-13(10)19)5-11(14(22-12)23-4)25-15(16,17)18/h5-7H,1-4H3,(H2,19,20,21)
InChIKeyVRRSZZNKDZKXPO-UHFFFAOYSA-N
XLogP4.30
TPSA83.15 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.39
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-[[6-methoxy-2-propan-2-yl-5-(trifluoromethylsulfanyl)-3-pyridinyl]oxy]-2-methylpyrimidin-4-amine?
The IUPAC name of 5-[[6-methoxy-2-propan-2-yl-5-(trifluoromethylsulfanyl)-3-pyridinyl]oxy]-2-methylpyrimidin-4-amine (CID 145374312) is 5-[[6-methoxy-2-propan-2-yl-5-(trifluoromethylsulfanyl)-3-pyridinyl]oxy]-2-methylpyrimidin-4-amine.
What is the SMILES notation for 5-[[6-methoxy-2-propan-2-yl-5-(trifluoromethylsulfanyl)-3-pyridinyl]oxy]-2-methylpyrimidin-4-amine?
The canonical SMILES for 5-[[6-methoxy-2-propan-2-yl-5-(trifluoromethylsulfanyl)-3-pyridinyl]oxy]-2-methylpyrimidin-4-amine is COc1nc(C(C)C)c(Oc2cnc(C)nc2N)cc1SC(F)(F)F.
What is the InChIKey of 5-[[6-methoxy-2-propan-2-yl-5-(trifluoromethylsulfanyl)-3-pyridinyl]oxy]-2-methylpyrimidin-4-amine?
The InChIKey is VRRSZZNKDZKXPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17F3N4O2S/c1-7(2)12-9(24-10-6-20-8(3)21-13(10)19)5-11(14(22-12)23-4)25-15(16,17)18/h5-7H,1-4H3,(H2,19,20,21).
What are the key properties of 5-[[6-methoxy-2-propan-2-yl-5-(trifluoromethylsulfanyl)-3-pyridinyl]oxy]-2-methylpyrimidin-4-amine?
5-[[6-methoxy-2-propan-2-yl-5-(trifluoromethylsulfanyl)-3-pyridinyl]oxy]-2-methylpyrimidin-4-amine has a molecular weight of 374.39 g/mol, XLogP of 4.30, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[6-methoxy-2-propan-2-yl-5-(trifluoromethylsulfanyl)-3-pyridinyl]oxy]-2-methylpyrimidin-4-amine is sourced from PubChem (CID 145374312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).